SCHEMBL26323063

SCHEMBL26323063

Cc1cc(Nc2cc3ncccc3c(N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)n2)n[nH]1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.78
▸ TYK2 P29597 19/20 0.78
▸ JAK1 P23458 14/20 0.78
▸ JAK2 O60674 13/20 0.78
▸ P2RX3 P56373 1/20 0.68
▸ P2RX2 Q9UBL9 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29565856 0.97 TYK2 (0.75) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18269689 0.97 TYK2 (0.75) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL29512168 0.97 TYK2 (0.75) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL30930692 0.86 JAK3 (0.59) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL19469214 0.86 JAK3 (0.59) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL19469215 0.86 JAK3 (0.59) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL29565830 0.86 JAK3 (0.59) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL18269699 0.86 TYK2 (0.63) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL19469173 0.86 TYK2 (0.63) JAK3TYK2JAK1JAK2P2RX3
SCHEMBL30569793 0.86 TYK2 (0.63) JAK3TYK2JAK1JAK2P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds Theravance Biopharma R&D LP, LLC (US) 2023-08-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11739103-B2 Processes for preparing a pan-JAK inhibitor and related intermediate compounds JAK1, JAK3, JAK2 JAK3 2/4885TYK2 50/4885JAK1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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